2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C9H16F3NO2 — CID 64803864

IUPAC2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCNC(CO)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO2/c1-13-8(4-14,7-2-3-7)5-15-6-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyAORCDYUCFRCJLB-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.93
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol

2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 64803864) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID64803864
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCNC(CO)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO2/c1-13-8(4-14,7-2-3-7)5-15-6-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyAORCDYUCFRCJLB-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 64803864) is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is CNC(CO)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is AORCDYUCFRCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-13-8(4-14,7-2-3-7)5-15-6-9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 64803864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).